3-[Butyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile

Base Information

• Chemical Name: 3-[Butyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
• CAS No.: 69472-19-1
• Molecular Formula: C19H21N5O2
• Molecular Weight: 351.40234
• European Community (EC) Number: 274-016-3
• DSSTox Substance ID: DTXSID70872054
• Nikkaji Number: J317.991E
• Mol file: 69472-19-1.mol

Synonyms:69472-19-1;3-[Butyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile;C.I. Disperse orange 33;3-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile;EINECS 274-016-3;Propanenitrile, 3-(butyl(4-((4-nitrophenyl)azo)phenyl)amino)-;Propanenitrile, 3-[butyl[4-[(4-nitrophenyl)azo]phenyl]amino]-;Propanenitrile, 3-(butyl(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)-;3-(Butyl(4-((4-nitrophenyl)azo)phenyl)amino)propiononitrile;SCHEMBL12955087;SCHEMBL13475230;SCHEMBL18179608;DTXSID70872054;W-111387;3-[Butyl[4-[(4-nitrophenyl)azo]phenyl]amino]propanenitrile

Chemical Property of 3-[Butyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile

Chemical Property:

• Vapor Pressure: 5.39E-13mmHg at 25°C
• Melting Point: 118°C
• Refractive Index: 1.591
• Boiling Point: 569.8 °C at 760 mmHg
• Flash Point: 298.4 °C
• PSA: 97.57000
• Density: 1.16 g/cm³
• LogP: 6.05358
• Water Solubility.: 7.028ug/L(25 oC)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 351.16952493
• Heavy Atom Count: 26
• Complexity: 494

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]